1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone

C32H28ClFN4O — CID 51066874

About 1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone

1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 51066874) has the molecular formula C32H28ClFN4O and a molecular weight of 539.05 g/mol. Its IUPAC name is 1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

• Compound Name: 1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
• PubChem CID: 51066874
• Molecular Formula: C32H28ClFN4O
• Molecular Weight: 539.05 g/mol
• Exact Mass: 538.19
• IUPAC Name: 1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
• SMILES: O=C(Cc1ccc(F)cc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1
• InChI: InChI=1S/C32H28ClFN4O/c33-27-11-8-25(9-12-27)32-29(38-21-26(10-15-30(38)35-32)24-4-2-1-3-5-24)22-36-16-18-37(19-17-36)31(39)20-23-6-13-28(34)14-7-23/h1-15,21H,16-20,22H2
• InChIKey: WOYIHYWUPCJNBF-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 40.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.05
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone?

The IUPAC name of 1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone (CID 51066874) is 1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone.

What is the SMILES notation for 1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone?

The canonical SMILES for 1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.

What is the InChIKey of 1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone?

The InChIKey is WOYIHYWUPCJNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28ClFN4O/c33-27-11-8-25(9-12-27)32-29(38-21-26(10-15-30(38)35-32)24-4-2-1-3-5-24)22-36-16-18-37(19-17-36)31(39)20-23-6-13-28(34)14-7-23/h1-15,21H,16-20,22H2.

What are the key properties of 1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone?

1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 539.05 g/mol, XLogP of 6.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 51066874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).